# generated using pymatgen
data_Ba2LiMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50139507
_cell_length_b   8.45273070
_cell_length_c   7.57878969
_cell_angle_alpha   105.22112123
_cell_angle_beta   93.06385694
_cell_angle_gamma   93.24734313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiMn2(P2O7)2
_chemical_formula_sum   'Ba2 Li1 Mn2 P4 O14'
_cell_volume   338.66329307
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.18583800  0.77105700  0.95017400  1
  Ba  Ba1  1  0.79356600  0.21208900  0.04487200  1
  Li  Li2  1  0.93835500  0.04761600  0.56037800  1
  Mn  Mn3  1  0.18806300  0.60006300  0.39688200  1
  Mn  Mn4  1  0.80082000  0.37158200  0.59759100  1
  P  P5  1  0.69063900  0.72087900  0.20992400  1
  P  P6  1  0.30900200  0.30414400  0.79090600  1
  P  P7  1  0.71537400  0.78270400  0.60994400  1
  P  P8  1  0.28110100  0.21218800  0.37879100  1
  O  O9  1  0.54202400  0.27785200  0.36282000  1
  O  O10  1  0.44719700  0.73011700  0.62241800  1
  O  O11  1  0.82432600  0.93616900  0.75342700  1
  O  O12  1  0.18421600  0.05222100  0.24434000  1
  O  O13  1  0.10136600  0.34992000  0.38071500  1
  O  O14  1  0.88844500  0.64173200  0.59165200  1
  O  O15  1  0.73613700  0.84374300  0.42099700  1
  O  O16  1  0.27413800  0.17304700  0.58055200  1
  O  O17  1  0.11575200  0.42953000  0.79884000  1
  O  O18  1  0.90722900  0.61111400  0.18928600  1
  O  O19  1  0.56914600  0.38510500  0.81190600  1
  O  O20  1  0.43975800  0.63010300  0.20498100  1
  O  O21  1  0.27469900  0.19230800  0.91729400  1
  O  O22  1  0.69281000  0.83186000  0.08131200  1
